4-chloro-1-ethyl-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylpyrrole-2-carboxamide

C12H18ClN3O2 — CID 43639498

IUPAC4-chloro-1-ethyl-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylpyrrole-2-carboxamide
SMILESCCn1cc(Cl)cc1C(=O)N(C)[C@@H]1CNC[C@H]1O
InChIInChI=1S/C12H18ClN3O2/c1-3-16-7-8(13)4-9(16)12(18)15(2)10-5-14-6-11(10)17/h4,7,10-11,14,17H,3,5-6H2,1-2H3/t10-,11-/m1/s1
InChIKeyZQGZMHUOYOISDN-GHMZBOCLSA-N
MW271.75 g/mol
LogP0.57
Rot. Bonds3

About 4-chloro-1-ethyl-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylpyrrole-2-carboxamide

4-chloro-1-ethyl-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylpyrrole-2-carboxamide (PubChem CID 43639498) has the molecular formula C12H18ClN3O2 and a molecular weight of 271.75 g/mol. Its IUPAC name is 4-chloro-1-ethyl-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-1-ethyl-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylpyrrole-2-carboxamide
PubChem CID43639498
Molecular FormulaC12H18ClN3O2
Molecular Weight271.75 g/mol
Exact Mass271.11
IUPAC Name4-chloro-1-ethyl-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylpyrrole-2-carboxamide
SMILESCCn1cc(Cl)cc1C(=O)N(C)[C@@H]1CNC[C@H]1O
InChIInChI=1S/C12H18ClN3O2/c1-3-16-7-8(13)4-9(16)12(18)15(2)10-5-14-6-11(10)17/h4,7,10-11,14,17H,3,5-6H2,1-2H3/t10-,11-/m1/s1
InChIKeyZQGZMHUOYOISDN-GHMZBOCLSA-N
XLogP0.57
TPSA57.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-chloro-1-ethyl-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylpyrrole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-4-nitropyrrole-2-carboxamide
CID 43639731
4-bromo-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-1-propylpyrrole-2-carboxamide
CID 43639929
4-chloro-1-ethyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide
CID 62379148
[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(4-chloro-1-ethylpyrrol-2-yl)methanone
CID 43639494
4-chloro-N-[(3S,4S)-4-hydroxypyrrolidin-3-yl]-N-methylbenzamide
CID 114088799
2-[(4-chloro-1-ethylpyrrole-2-carbonyl)-propylamino]acetic acid
CID 61009084
N-[(4-bromophenyl)methyl]-4-chloro-1-ethyl-N-methylpyrrole-2-carboxamide
CID 61415216
methyl 4-[(4-chloro-1-ethylpyrrole-2-carbonyl)-methylamino]butanoate
CID 55006063
methyl 2-[(4-chloro-1-ethylpyrrole-2-carbonyl)-cyclopentylamino]acetate
CID 115535669
4-chloro-1-ethyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide
CID 106609823
N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N,1-dimethylpyrrole-2-carboxamide
CID 43596000
4-amino-1-ethyl-N-methyl-N-(2-methylcyclohexyl)pyrrole-2-carboxamide
CID 61104997

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-ethyl-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylpyrrole-2-carboxamide?
The IUPAC name of 4-chloro-1-ethyl-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylpyrrole-2-carboxamide (CID 43639498) is 4-chloro-1-ethyl-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-1-ethyl-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-1-ethyl-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylpyrrole-2-carboxamide is CCn1cc(Cl)cc1C(=O)N(C)[C@@H]1CNC[C@H]1O.
What is the InChIKey of 4-chloro-1-ethyl-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylpyrrole-2-carboxamide?
The InChIKey is ZQGZMHUOYOISDN-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H18ClN3O2/c1-3-16-7-8(13)4-9(16)12(18)15(2)10-5-14-6-11(10)17/h4,7,10-11,14,17H,3,5-6H2,1-2H3/t10-,11-/m1/s1.
What are the key properties of 4-chloro-1-ethyl-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylpyrrole-2-carboxamide?
4-chloro-1-ethyl-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylpyrrole-2-carboxamide has a molecular weight of 271.75 g/mol, XLogP of 0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-ethyl-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylpyrrole-2-carboxamide is sourced from PubChem (CID 43639498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).